SCHEMBL31433370

SCHEMBL31433370

CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 8/20 0.57
▸ DPP3 Q9NY33 1/20 0.56
▸ CAPN1 P07384 2/20 0.56
▸ CTSB P07858 2/20 0.56
▸ TACR2 P21452 4/20 0.55
▸ TACR1 P25103 1/20 0.55
▸ CCKBR P32239 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31634547 0.89 CAPN1 (0.57) CXCL8DPP3CAPN1CTSBTACR1
SCHEMBL31433280 0.87 CXCL8 (0.56) CXCL8DPP3TACR1
SCHEMBL31433172 0.87 CAPN1 (0.57) CXCL8DPP3CAPN1CTSB
SCHEMBL31433368 0.85 REN (0.52) CXCL8CAPN1CTSB
SCHEMBL30450633 0.82 DPP3 (0.57) CXCL8DPP3
SCHEMBL29973278 0.81 TACR2 (0.66) CXCL8DPP3CAPN1CTSBTACR2
SCHEMBL29461598 0.81 DPP3 (0.56) CXCL8DPP3
SCHEMBL26426326 0.80 CTSL (0.65) CXCL8
SCHEMBL30432327 0.80 DPP3 (0.55) CXCL8DPP3CCKBR
SCHEMBL29974089 0.80 DPP3 (0.66) DPP3CAPN1CTSBTACR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E CALICO LIFE SCIENCES LLC (US) 2025-03-06 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250074942-A1 COMPOSITIONS AND METHODS FOR COVALENT PEPTIDE-BASED MODULATORS OF HLA-E MICA, CD74, HLA-DRB1 CXCL8 3338/4885DPP3 882/4885CAPN1 3160/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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